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DICYCLOHEXYLMETHYL_2,3,4,6-TETRA-O-BENZYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID Gop7ohzbIki
InChI InChI=1S/C47H58O5S/c1-7-19-36(20-8-1)31-48-35-42-43(49-32-37-21-9-2-10-22-37)44(50-33-38-23-11-3-12-24-38)45(51-34-39-25-13-4-14-26-39)47(52-42)53-46(40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-4,7-14,19-26,40-47H,5-6,15-18,27-35H2/t42-,43-,44+,45-,47+/m1/s1
InChIKey ASBQPTOTIFBBCO-QYSXKKJHSA-N
Mol Weight 735.0 g/mol
Molecular Formula C47H58O5S
Exact Mass 734.400496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EAE8bccezY4
Name DICYCLOHEXYLMETHYL_2,3,4,6-TETRA-O-BENZYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
Compound Number 3-BETA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H58O5S
InChI InChI=1S/C47H58O5S/c1-7-19-36(20-8-1)31-48-35-42-43(49-32-37-21-9-2-10-22-37)44(50-33-38-23-11-3-12-24-38)45(51-34-39-25-13-4-14-26-39)47(52-42)53-46(40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-4,7-14,19-26,40-47H,5-6,15-18,27-35H2/t42-,43-,44+,45-,47+/m1/s1
InChIKey ASBQPTOTIFBBCO-QYSXKKJHSA-N
Literature Reference Author R.GEURTSEN,D.S.HOLMES,G.J.BOONS
Literature Reference Citation J.ORG.CHEM.,62,8145(1997)
Literature Reference DOI 10.1021/jo971233k
Molecular Weight 735.035 g/mol
Solvent CDCl3
Source File Reference UWMZ5253